2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid

C11H16F2N2O3 — CID 126509728

IUPAC2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid
SMILESO=C(C1CCCN1C(=O)O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H16F2N2O3/c12-11(13)3-6-14(7-4-11)9(16)8-2-1-5-15(8)10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyZFAQTJWRXZINJA-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.39
Rot. Bonds1

About 2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid

2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid (PubChem CID 126509728) has the molecular formula C11H16F2N2O3 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid
PubChem CID126509728
Molecular FormulaC11H16F2N2O3
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid
SMILESO=C(C1CCCN1C(=O)O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H16F2N2O3/c12-11(13)3-6-14(7-4-11)9(16)8-2-1-5-15(8)10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyZFAQTJWRXZINJA-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid (CID 126509728) is 2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid is O=C(C1CCCN1C(=O)O)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid?
The InChIKey is ZFAQTJWRXZINJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3/c12-11(13)3-6-14(7-4-11)9(16)8-2-1-5-15(8)10(17)18/h8H,1-7H2,(H,17,18).
What are the key properties of 2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid?
2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 126509728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).